SCHEMBL7250043

SCHEMBL7250043

CCNC(=O)Nc1nc2ccc3sc(CC)nc3c2s1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ABL1 P00519 11/20 0.52
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3CD O00329 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14847676 0.75 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6067936 0.74 NPC1 (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6068201 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ABL1HTT
SCHEMBL6068095 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ABL1HTT
SCHEMBL6067813 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ABL1HTT
SCHEMBL6068173 0.73 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6067965 0.72 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ABL1PIK3CA
SCHEMBL1842324 0.72 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14847475 0.72 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14847476 0.72 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 RAB9A 3285/4885NPC1 3594/4885SMN1; SMN2 4285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.